2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide

C25H28N2O3 — CID 55527623

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H28N2O3/c1-18-22(19(2)30-27-18)16-29-23-13-7-6-12-21(23)24(28)26-17-25(14-8-9-15-25)20-10-4-3-5-11-20/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,26,28)
InChIKeyIYKSRWIQVVUXEA-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.11
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide (PubChem CID 55527623) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide
PubChem CID55527623
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H28N2O3/c1-18-22(19(2)30-27-18)16-29-23-13-7-6-12-21(23)24(28)26-17-25(14-8-9-15-25)20-10-4-3-5-11-20/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,26,28)
InChIKeyIYKSRWIQVVUXEA-UHFFFAOYSA-N
XLogP5.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445543
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CID 43006676
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832323
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CID 30544768
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide (CID 55527623) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide?
The InChIKey is IYKSRWIQVVUXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18-22(19(2)30-27-18)16-29-23-13-7-6-12-21(23)24(28)26-17-25(14-8-9-15-25)20-10-4-3-5-11-20/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 55527623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).